5-Fluoro-2-[5-(hexahydro-1,4-diazepin-1-yl)pyrazin-2-yl-carbonylamino]-N-(5-chloropyridin-2-yl)benzamide

HCID 9869307
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Basic information

Standard SMILES
O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1cnc(N2CCCNCC2)cn1
InChIKey
IPUWZEIALCDYAI-UHFFFAOYSA-N
Molecular formula
C22H21ClFN7O2
Average molar mass
469.9 g/mol
Monoisotopic mass
469.1429288

Names & identifiers

Preferred name
5-Fluoro-2-[5-(hexahydro-1,4-diazepin-1-yl)pyrazin-2-yl-carbonylamino]-N-(5-chloropyridin-2-yl)benzamide
IUPAC
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide

Names & synonyms

SCHEMBL5201736IPUWZEIALCDYAI-UHFFFAOYSA-N5-Fluoro-2-[5-(hexahydro-1,4-diazepin-1-yl)pyrazin-2-yl-carbonylamino]-N-(5-chloropyridin-2-yl)benzamide

Database identifiers

PubChem CID
9869307

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
112 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

Related reactions

4 records
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Linked notes

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